4-N-프로폭시벤잘데하이드

4-N-프로폭시벤잘데하이드 · 4-PROPOXYBENZALDEHYDE · P-PROPOXYBENZALDEHYDE · 4-propoxy-benzaldehyd · Benzaldehyde, 4-propoxy- · NSC 32509 · NSC 406729 · WLN: VHR DO3

https://huagongshe.com/ko/chemical/79812

식별자 및 물리적 특성

CAS No.	5736-85-6
분자식	C10H12O2
평균 분자량	164.2 g/mol
단동위원소 질량	164.08372962 g/mol
SMILES	CCCOc1ccc(C=O)cc1
InChIKey	FGXZWMCBNMMYPL-UHFFFAOYSA-N
PubChem CID	79812
EC No.	611-515-0
DTXSID	DTXSID0063991
현지명	4-N-프로폭시벤잘데하이드

화학 및 물리적 성질

XLogP	2.1
극성 표면적	26.3
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	4
무거운 원자 수	12
형식 전하	0
복잡도	126
Endocrine Disruptors	Potential endocrine disrupting compound
녹는점	268 °C
끓는 점	129-130 °C/10 mmHg (lit.)
밀도	1.039 g/mL at 25 °C (lit.)
굴절률	n20/D 1.546(lit.)
인화점	>230 °F
저장 조건	Keep in dark place,Sealed in dry,Room Temperature
물리적 상태	투명한 액체
색상	Colorless to Light orange to Yellow
비중	1.06
BRN	743408
InChI	InChI=1S/C10H12O2/c1-2-7-12-10-5-3-9(8-11)4-6-10/h3-6,8H,2,7H2,1H3
InChIKey	FGXZWMCBNMMYPL-UHFFFAOYSA-N
SMILES	C(=O)C1=CC=C(OCCC)C=C1
EPA	Benzaldehyde, 4-propoxy- (5736-85-6)

화학적 성질

White liquid

안전 및 규제

GHS 분류	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (100%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
RTECS 번호	CU7700000
관세 코드	29124990
위험 문구(R)	20/21/22-36/37/38
위험 표시	Xn,Xi
안전 문구(S)	26-27-36/37/39
위험 등급	IRRITANTAcute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
저장 분류	10 - Combustible liquids

용도

4-Propoxybenzaldehyde was used in the preparation of (2S,4S,5R)-(±)-2-(4-propoxyphenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine via condensation with 1-ephedrine.

일반 설명

Kinetic constants for the inhibition of the diphenolase activity of mushroom tyrosinase by 4-propoxybenzaldehyde was evaluated.